7-[(1-ethyl-5-methylpyrazol-4-yl)methyl]-2-pyridin-2-yl-3,5,6,8-tetrahydropyrido[3,4-d]pyrimidin-4-one

C19H22N6O — CID 136681056

IUPAC7-[(1-ethyl-5-methylpyrazol-4-yl)methyl]-2-pyridin-2-yl-3,5,6,8-tetrahydropyrido[3,4-d]pyrimidin-4-one
SMILESCCn1ncc(CN2CCc3c(nc(-c4ccccn4)[nH]c3=O)C2)c1C
InChIInChI=1S/C19H22N6O/c1-3-25-13(2)14(10-21-25)11-24-9-7-15-17(12-24)22-18(23-19(15)26)16-6-4-5-8-20-16/h4-6,8,10H,3,7,9,11-12H2,1-2H3,(H,22,23,26)
InChIKeyLSAVGRMTPHUKRA-UHFFFAOYSA-N
MW350.43 g/mol
LogP1.92
Rot. Bonds4

About 7-[(1-ethyl-5-methylpyrazol-4-yl)methyl]-2-pyridin-2-yl-3,5,6,8-tetrahydropyrido[3,4-d]pyrimidin-4-one

7-[(1-ethyl-5-methylpyrazol-4-yl)methyl]-2-pyridin-2-yl-3,5,6,8-tetrahydropyrido[3,4-d]pyrimidin-4-one (PubChem CID 136681056) has the molecular formula C19H22N6O and a molecular weight of 350.43 g/mol. Its IUPAC name is 7-[(1-ethyl-5-methylpyrazol-4-yl)methyl]-2-pyridin-2-yl-3,5,6,8-tetrahydropyrido[3,4-d]pyrimidin-4-one.

Molecular Properties

Compound Name7-[(1-ethyl-5-methylpyrazol-4-yl)methyl]-2-pyridin-2-yl-3,5,6,8-tetrahydropyrido[3,4-d]pyrimidin-4-one
PubChem CID136681056
Molecular FormulaC19H22N6O
Molecular Weight350.43 g/mol
Exact Mass350.19
IUPAC Name7-[(1-ethyl-5-methylpyrazol-4-yl)methyl]-2-pyridin-2-yl-3,5,6,8-tetrahydropyrido[3,4-d]pyrimidin-4-one
SMILESCCn1ncc(CN2CCc3c(nc(-c4ccccn4)[nH]c3=O)C2)c1C
InChIInChI=1S/C19H22N6O/c1-3-25-13(2)14(10-21-25)11-24-9-7-15-17(12-24)22-18(23-19(15)26)16-6-4-5-8-20-16/h4-6,8,10H,3,7,9,11-12H2,1-2H3,(H,22,23,26)
InChIKeyLSAVGRMTPHUKRA-UHFFFAOYSA-N
XLogP1.92
TPSA79.70 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.43
LogP ≤ 51.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

7-[(2,6-dimethylphenyl)methyl]-2-pyridin-2-yl-3,5,6,8-tetrahydropyrido[3,4-d]pyrimidin-4-one
CID 135864071
7-[(2-hydroxy-3-methylphenyl)methyl]-2-pyridin-2-yl-3,5,6,8-tetrahydropyrido[3,4-d]pyrimidin-4-one
CID 135864691
7-[(2,5-difluorophenyl)methyl]-2-pyridin-2-yl-3,5,6,8-tetrahydropyrido[3,4-d]pyrimidin-4-one
CID 135863851
7-[(1-ethylbenzimidazol-2-yl)methyl]-2-pyridin-2-yl-3,5,6,8-tetrahydropyrido[3,4-d]pyrimidin-4-one
CID 136681048
7-[(3-fluoro-4-methylphenyl)methyl]-2-pyridin-2-yl-3,5,6,8-tetrahydropyrido[3,4-d]pyrimidin-4-one
CID 135865688
7-[(3-chloro-4-methylphenyl)methyl]-2-pyridin-2-yl-3,5,6,8-tetrahydropyrido[3,4-d]pyrimidin-4-one
CID 135865469
7-[(5-phenyl-2H-triazol-4-yl)methyl]-2-pyridin-2-yl-3,5,6,8-tetrahydropyrido[3,4-d]pyrimidin-4-one
CID 136681077
6-[(1-ethyl-5-methylpyrazol-4-yl)methyl]-2-pyridin-3-yl-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-one
CID 135943527
7-[(1-ethyl-5-methoxyindol-3-yl)methyl]-2-pyridin-2-yl-3,5,6,8-tetrahydropyrido[3,4-d]pyrimidin-4-one
CID 136681091
7-[[1-(3-methyl-2-pyridinyl)pyrrol-2-yl]methyl]-2-pyridin-2-yl-3,5,6,8-tetrahydropyrido[3,4-d]pyrimidin-4-one
CID 155900780
6-[(2,5-dimethylthiophen-3-yl)methyl]-2-pyridin-2-yl-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-one
CID 136707310
7-[(5-chloro-1H-indol-3-yl)methyl]-2-pyridin-2-yl-3,5,6,8-tetrahydropyrido[3,4-d]pyrimidin-4-one
CID 135866631

Frequently Asked Questions

What is the IUPAC name of 7-[(1-ethyl-5-methylpyrazol-4-yl)methyl]-2-pyridin-2-yl-3,5,6,8-tetrahydropyrido[3,4-d]pyrimidin-4-one?
The IUPAC name of 7-[(1-ethyl-5-methylpyrazol-4-yl)methyl]-2-pyridin-2-yl-3,5,6,8-tetrahydropyrido[3,4-d]pyrimidin-4-one (CID 136681056) is 7-[(1-ethyl-5-methylpyrazol-4-yl)methyl]-2-pyridin-2-yl-3,5,6,8-tetrahydropyrido[3,4-d]pyrimidin-4-one.
What is the SMILES notation for 7-[(1-ethyl-5-methylpyrazol-4-yl)methyl]-2-pyridin-2-yl-3,5,6,8-tetrahydropyrido[3,4-d]pyrimidin-4-one?
The canonical SMILES for 7-[(1-ethyl-5-methylpyrazol-4-yl)methyl]-2-pyridin-2-yl-3,5,6,8-tetrahydropyrido[3,4-d]pyrimidin-4-one is CCn1ncc(CN2CCc3c(nc(-c4ccccn4)[nH]c3=O)C2)c1C.
What is the InChIKey of 7-[(1-ethyl-5-methylpyrazol-4-yl)methyl]-2-pyridin-2-yl-3,5,6,8-tetrahydropyrido[3,4-d]pyrimidin-4-one?
The InChIKey is LSAVGRMTPHUKRA-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22N6O/c1-3-25-13(2)14(10-21-25)11-24-9-7-15-17(12-24)22-18(23-19(15)26)16-6-4-5-8-20-16/h4-6,8,10H,3,7,9,11-12H2,1-2H3,(H,22,23,26).
What are the key properties of 7-[(1-ethyl-5-methylpyrazol-4-yl)methyl]-2-pyridin-2-yl-3,5,6,8-tetrahydropyrido[3,4-d]pyrimidin-4-one?
7-[(1-ethyl-5-methylpyrazol-4-yl)methyl]-2-pyridin-2-yl-3,5,6,8-tetrahydropyrido[3,4-d]pyrimidin-4-one has a molecular weight of 350.43 g/mol, XLogP of 1.92, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 7-[(1-ethyl-5-methylpyrazol-4-yl)methyl]-2-pyridin-2-yl-3,5,6,8-tetrahydropyrido[3,4-d]pyrimidin-4-one is sourced from PubChem (CID 136681056), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).